Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 4/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | LYN | P07948 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL2311135 | 0.93 | DGAT1 (0.44) | DGAT1PIK3CAHDAC6MAPTRAB9A | |
| Bicarbonate SCHEMBL2308797 | 0.91 | DGAT1 (0.49) | DGAT1PIK3CAHDAC6CSF1RKMT2A | |
| SCHEMBL2308158 | 0.88 | DGAT1 (0.56) | DGAT1HDAC6MAPTRAB9ANPC1 | |
| Bicarbonate SCHEMBL2308864 | 0.88 | DGAT1 (0.41) | DGAT1PIK3CAHDAC6KMT2AKCNH2 | |
| Bicarbonate SCHEMBL2309633 | 0.87 | HDAC6 (0.55) | DGAT1HDAC6MAPTRAB9ANPC1 | |
| Bicarbonate SCHEMBL2307865 | 0.86 | HDAC6 (0.54) | DGAT1PIK3CAHDAC6MAPTRAB9A | |
| Bicarbonate SCHEMBL2314871 | 0.85 | DGAT1 (0.51) | DGAT1PIK3CAHDAC6CSF1RKMT2A | |
| Bicarbonate SCHEMBL2308538 | 0.84 | DGAT1 (0.44) | DGAT1PIK3CAMAPTRAB9ACSF1R | |
| Bicarbonate SCHEMBL2314686 | 0.83 | DGAT1 (0.46) | DGAT1HDAC6MAPTRAB9ANPC1 | |
| SCHEMBL1748140 | 0.81 | DGAT1 (0.58) | DGAT1MAPTRAB9ANPC1DYRK3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633722-B1 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER HEALTHCARE LLC (US) | 2011-08-03 | — | — | EP | claimed |